NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.2699 8.2993 120.1268 56.6282 33.4329 174.5121 14 M 4.6836 8.0876 118.6657 52.2698 34.4999 172.9709 15 S 4.2918 8.3271 114.2162 58.2529 64.2015 176.0596 16 S 4.3928 8.9284 121.5437 61.8138 62.8458 176.2986 17 E 3.9221 8.2226 121.2502 59.4645 29.2784 178.9112 18 L 3.9781 8.1035 119.4481 58.3731 42.2251 178.8577 19 F 4.1463 8.3215 119.8588 61.6705 39.4074 176.8644 20 T 3.9361 8.4175 112.8450 65.2358 67.1949 176.2072 21 L 4.0963 8.4178 121.3636 58.0585 41.6402 179.6086 22 T 3.8847 8.1333 115.9043 66.6906 67.9567 176.1644 23 Y 4.0709 7.9226 121.5603 60.4707 38.7744 178.1468 24 G 4.0151 8.1862 106.6296 47.1120 0.0000 175.5462 25 A 4.0615 7.9666 124.4351 54.1603 18.2589 179.3903 26 L 3.7064 7.5871 118.8114 58.2393 42.2386 179.1433 27 V 3.2491 7.2357 118.2532 66.2113 31.0890 178.1077 28 T 3.8410 7.8476 109.2665 64.8194 68.4304 176.3646 29 Q 4.0217 7.9789 120.8438 58.7656 28.7535 178.6377 30 L 4.1261 8.0720 120.0950 58.3573 41.4796 179.5361 31 C 4.2036 7.9989 115.0401 62.2270 27.9964 175.9383 32 K 4.2109 7.9058 119.7839 59.1245 32.0204 178.6424 33 D 4.3171 7.9916 117.4930 56.3729 41.3024 176.4226 34 Y 4.4665 7.5300 115.7386 56.6354 39.1465 175.9512 35 E 4.1861 8.8331 123.0193 58.7202 30.0461 177.3437 36 N 5.1417 7.7051 111.9722 50.1753 42.0174 174.9796 37 D 4.3793 8.7105 121.1701 57.7095 40.8875 178.9662 38 E 3.9506 8.2076 118.5415 59.6157 29.5261 178.9895 39 D 4.2703 8.8439 119.2835 57.1169 40.7655 179.1090 40 V 3.1790 7.3290 118.8304 65.8416 31.5426 177.6815 41 N 4.1999 8.3466 116.6930 56.2156 38.3424 177.2773 42 K 3.8175 7.8556 120.7381 59.6301 32.3743 178.6591 43 Q 3.8412 7.7723 119.7455 59.1384 28.8517 178.2744 44 L 4.0054 8.2159 120.5581 57.5838 41.5069 178.9471 45 D 4.3744 8.0091 118.2586 57.1587 41.0934 178.4858 46 R 3.9281 8.1484 118.6852 59.6855 30.1437 178.8606 47 M 4.1843 8.1644 118.5300 58.4372 31.8426 179.1429 48 G 3.6075 8.2424 105.8361 47.7658 0.0000 174.9093 49 Y 4.1875 8.2113 122.1736 60.8572 38.5616 178.0392 50 N 4.2254 8.5482 117.2331 56.6077 38.5708 177.4906 51 I 3.8693 7.7773 121.2891 64.0652 37.2848 178.6924 52 G 3.4237 8.1487 107.1358 47.5274 0.0000 175.8509 53 V 3.5792 7.5481 119.1840 64.5739 31.3369 177.2523 54 R 4.3545 7.0798 116.9720 58.1451 31.2093 178.1354 55 L 4.0908 8.1523 120.2803 57.6206 41.8980 178.8163 56 I 3.6589 7.4907 118.5214 64.2036 37.7709 177.2461 57 E 3.9598 8.2021 118.2241 59.3569 29.4943 177.9779 58 D 4.4938 7.7106 118.2167 57.4104 41.3061 177.8744 59 F 4.4029 8.4324 121.1531 61.6025 39.1514 177.1105 60 L 3.9107 7.9547 117.2374 57.1872 41.4832 178.3539 61 A 4.4014 7.5251 118.2424 52.4299 18.7739 177.6310 62 R 4.4697 7.0550 114.5050 55.1942 31.7564 175.4572 63 S 4.2835 7.6691 111.2048 57.7519 65.3159 176.5168 64 N 4.6050 8.6517 123.1907 52.6641 38.0150 171.3615 *69 H 4.9202 8.0993 112.6064 57.1436 29.7741 177.3293 70 D 4.6916 8.6117 132.7048 54.0692 39.6485 175.7497 71 F 4.7158 8.8268 118.8619 61.8669 39.4831 178.3303 72 R 4.2537 8.1827 117.4444 59.1886 29.7027 178.3759 73 E 4.0231 8.9330 119.5773 59.2656 29.6413 178.9118 74 T 3.9367 7.5617 116.2145 66.0905 68.4207 176.4287 75 A 3.6444 7.4003 122.7311 55.1693 18.1824 179.1306 76 D 4.2387 7.4223 116.4062 57.6612 40.8700 179.3389 77 V 3.6846 7.5073 118.4977 66.5683 31.4255 177.5941 78 I 3.7322 7.9707 119.1086 64.5187 36.8500 178.2340 79 A 3.8189 8.2308 120.8758 55.4053 18.2475 179.9561 80 K 3.9857 8.2363 115.6712 58.3567 32.0956 177.5224 81 V 4.2187 7.0438 115.4366 62.8309 33.2510 177.1298 82 A 3.6968 8.4435 119.2760 55.5508 18.7716 179.4035 83 F 3.7559 8.9244 115.4791 60.8226 39.2629 178.0379 84 K 4.2769 8.2923 119.5955 58.8511 31.6138 178.4216 85 M 3.9097 7.9212 117.8166 58.8113 32.3614 177.2703 86 Y 4.1487 7.8655 114.9307 59.3566 38.5896 176.4408 87 L 4.3600 8.3097 116.7074 53.4177 42.6781 176.2682 88 G 4.5267 8.0922 106.5421 47.0233 0.0000 173.5564 89 I 4.7151 7.4468 109.8019 59.2722 40.8385 174.1793 90 T 5.1316 7.9707 117.6859 59.7645 69.0076 172.0730 91 P 4.4694 0.0000 0.0000 62.3931 32.7616 175.5867 92 S 4.5961 8.3115 117.9986 57.4742 64.4921 173.5762 93 I 4.5968 8.2936 126.3998 61.3154 37.8761 175.3674 94 T 4.4900 8.7166 116.6772 61.8426 72.1966 172.8422 95 N 4.3735 8.9613 114.6789 54.0315 36.3167 174.5921 96 W 4.5711 8.3167 115.8979 57.0878 30.1750 175.9729 97 S 4.8771 8.8358 114.5871 56.2294 64.2004 173.4715 98 P 4.0122 0.0000 0.0000 65.9917 29.8474 177.2410 99 A 4.1761 8.1810 118.4245 52.1450 18.8358 178.0916 100 G 4.3813 9.0069 104.9271 46.4399 0.0000 174.5603 101 D 4.7959 7.7927 120.2019 54.3318 41.0705 175.7031 102 E 5.4097 9.0409 117.5989 55.5434 33.2965 174.0924 103 F 4.8985 8.5430 116.1212 55.5410 42.1169 173.0289 104 S 5.0639 8.8964 114.9260 56.6534 66.3532 173.5174 105 L 4.9263 8.6475 123.2491 53.1464 44.1867 175.6004 106 I 4.6030 8.4135 126.1820 60.2008 38.5527 174.9203 107 L 4.5938 8.5760 130.4097 54.2743 42.4484 176.5672 108 E 4.3388 9.0443 120.0823 57.1025 31.3187 174.3080 109 N 4.9511 7.5330 115.9733 51.6308 39.1205 175.6581 110 N 4.3579 8.0589 117.5798 53.2936 39.7113 172.8978 111 P 5.2036 0.0000 0.0000 65.3277 31.4725 178.4702 112 L 4.1162 8.3711 117.6413 57.4623 41.7339 178.1120 113 V 4.0204 7.8054 109.4228 60.8489 32.0339 175.2887 114 D 4.2285 7.9540 121.9277 55.9715 40.8230 176.9987 115 F 3.6617 8.2233 120.8837 58.0789 36.5599 174.6424 116 V 3.8949 7.7405 121.0794 61.4933 31.9195 175.1077 117 E 4.3911 8.3508 127.0593 53.6904 31.0529 174.6614 118 L 4.0380 8.3471 128.4342 54.6626 42.8762 175.0179 119 P 4.5954 0.0000 0.0000 61.8831 32.4152 176.7597 120 D 4.4189 8.9556 121.6657 57.7758 40.7306 178.5237 121 N 4.4636 8.1232 113.8233 55.1424 37.4629 174.7260 122 H 5.6190 7.9711 117.4227 54.9564 29.3139 177.4853 123 S 4.0944 8.1985 117.1126 61.6812 63.0173 176.1112 124 A 4.1529 7.8644 120.6609 53.4099 18.5578 177.2821 125 L 4.2222 7.5184 118.4965 55.1846 42.9434 177.6548 126 I 4.1692 9.1519 128.7515 59.4830 36.4584 175.6533 127 Y 3.8173 7.6665 125.7225 60.6871 39.5171 178.0373 128 S 4.7915 7.8082 113.2143 57.8789 63.3011 175.5013 129 N 4.2442 8.2940 122.4622 56.6328 38.3073 176.1903 130 L 4.2401 8.1563 121.2569 58.4641 41.9030 178.6561 131 L 3.9987 8.3710 118.9736 58.1121 41.6474 179.1803 132 C 4.2271 8.3456 116.2558 62.9108 28.0054 176.5354 133 G 3.6899 8.0871 106.8167 47.4555 0.0000 175.8429 134 V 3.6509 7.7271 120.5696 65.7943 31.5758 177.9553 135 L 3.9052 8.0229 118.8065 57.8556 41.6425 179.5020 136 R 4.0212 7.9812 118.3664 59.4851 29.8432 178.7376 137 G 3.2179 8.2639 104.1874 47.5082 0.0000 175.2106 138 A 4.1810 8.0763 123.5385 55.0085 18.4994 179.8652 139 L 4.0527 8.0351 117.0536 57.4823 41.4662 179.3713 140 E 4.0241 8.1498 119.5896 59.3074 29.3992 178.3876 141 M 4.2213 7.7346 117.3918 56.8999 32.3316 177.0410 142 V 4.4477 7.5530 112.4171 62.2212 32.5913 175.0845 143 Q 3.3112 7.7368 113.6882 57.2171 27.0913 173.7889 144 M 4.8024 7.8858 117.6066 53.5752 33.8913 174.7629 145 A 4.2395 8.4180 129.0161 51.4570 19.1243 176.3274 146 V 4.7977 8.1421 113.3496 60.1798 36.1380 174.7757 147 E 4.7079 9.0717 121.5785 54.4341 32.4354 174.1235 148 A 5.7054 8.8909 127.8900 49.0165 21.5863 175.1365 149 K 4.7122 8.1949 120.1560 55.3183 36.4840 175.2152 150 F 4.6772 9.1249 121.2644 57.8674 38.8610 175.6130 151 V 4.3851 9.0801 117.1979 61.6996 33.2798 176.2340 152 Q 4.8654 7.8960 118.6722 54.6147 33.6110 173.2828 153 D 4.8641 10.6100 122.4059 53.4689 44.8068 175.8844 154 T 4.0433 9.3143 123.8853 67.0147 68.6544 176.1789 155 L 4.0758 8.2151 118.7559 56.6897 41.6590 177.6927 156 K 4.4355 8.2038 116.5208 55.8110 32.7524 176.7397 157 G 4.0937 8.1851 108.0661 45.4409 0.0000 174.6130 158 D 4.4695 8.1397 120.1490 54.0828 41.3802 177.4969 159 G 3.7855 8.7299 112.0011 48.8252 0.0000 172.8766 160 V 4.5238 7.2104 109.9698 60.6309 36.7974 174.1576 161 T 4.6733 8.4635 117.5237 62.1559 70.6551 173.4561 162 E 5.0579 9.5479 128.3398 54.2737 32.6663 174.4668 163 I 4.5404 8.1676 127.4661 59.3185 39.9650 174.6202 164 R 4.3696 8.8168 129.3779 55.9607 31.3359 174.7922 165 M 4.7499 8.9054 127.1531 53.5112 34.4133 175.0647 166 R 4.7783 8.6550 123.2991 54.2877 33.4521 173.7962 167 F 4.0068 8.9349 130.6754 58.4862 39.1142 174.8325 168 I 4.0899 7.8902 128.1333 62.4237 38.1007 176.1474 169 R 4.4160 6.1935 119.0877 56.5338 31.4833 174.1602 170 R 4.8506 8.7470 119.7271 56.4494 30.8458 175.1080 171 I 4.4989 8.2677 120.9758 60.0892 39.1389 176.0468 172 E 4.2537 8.7844 128.5410 55.8727 31.1447 176.7543 *173 D 4.4415 8.3824 117.4966 53.7172 40.5731 173.8586 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 13 K 8.30 4.27 0.00 1.74 1.78 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.34 7.81 14 M 8.09 4.68 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 15 S 8.33 4.29 0.00 3.88 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.93 4.39 0.00 4.21 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.22 3.92 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 18 L 8.10 3.98 0.00 1.81 1.78 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.32 4.15 0.00 3.23 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.42 3.94 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 21 L 8.42 4.10 0.00 1.75 1.72 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.13 3.88 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 23 Y 7.92 4.07 0.00 2.74 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.19 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.97 4.06 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.59 3.71 0.00 1.67 1.52 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.24 3.25 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 -0.35 0.00 0.00 28 T 7.85 3.84 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 29 Q 7.98 4.02 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 30 L 8.07 4.13 0.00 1.76 1.73 0.78 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.00 4.20 0.00 3.14 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.91 4.21 0.00 1.92 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.66 7.81 33 D 7.99 4.32 0.00 2.56 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.53 4.47 0.00 3.02 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.83 4.19 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 36 N 7.71 5.14 0.00 3.09 2.87 0.00 0.00 6.86 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.71 4.38 0.00 2.80 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.21 3.95 0.00 2.29 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 39 D 8.84 4.27 0.00 2.88 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.33 3.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.00 0.00 0.00 41 N 8.35 4.20 0.00 2.83 2.81 0.00 0.00 6.71 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.86 3.82 0.00 1.76 1.83 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.39 7.81 43 Q 7.77 3.84 0.00 1.76 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 44 L 8.22 4.01 0.00 1.84 1.68 0.75 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.01 4.37 0.00 2.85 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.15 3.93 0.00 2.04 1.97 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.89 0.00 47 M 8.16 4.18 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.59 0.00 48 G 8.24 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.21 4.19 0.00 3.18 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.55 4.23 0.00 2.94 2.89 0.00 0.00 7.15 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.78 3.87 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.84 0.83 0.00 0.00 52 G 8.15 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.55 3.58 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.27 0.00 0.00 54 R 7.08 4.35 0.00 1.74 1.91 0.00 3.18 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.90 0.00 55 L 8.15 4.09 0.00 1.53 1.62 0.09 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.49 3.66 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.11 0.92 0.00 0.00 57 E 8.20 3.96 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 58 D 7.71 4.49 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.43 4.40 0.00 3.34 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.95 3.91 0.00 1.84 1.71 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.53 4.40 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.05 4.47 0.00 1.66 1.84 0.00 3.21 0.00 0.00 3.11 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 63 S 7.67 4.28 0.00 3.53 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.65 4.61 0.00 2.78 2.68 0.00 0.00 6.81 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *69 H 8.10 4.92 0.00 3.24 2.51 0.00 5.87 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.61 4.69 0.00 2.93 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 104 S 8.90 5.06 0.00 3.78 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.65 4.93 0.00 1.49 1.33 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.41 4.60 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.41 0.88 0.00 0.00 107 L 8.58 4.59 0.00 1.55 1.61 1.02 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 108 E 9.04 4.34 0.00 1.98 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 109 N 7.53 4.95 0.00 2.67 2.80 0.00 0.00 6.81 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 N 8.06 4.36 0.00 2.90 2.82 0.00 0.00 6.78 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 5.20 0.00 2.46 2.40 0.00 4.04 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 112 L 8.37 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.29 4.24 0.00 2.92 2.81 0.00 0.00 6.83 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.16 4.24 0.00 1.96 1.65 1.10 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.37 4.00 0.00 2.08 1.82 1.19 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 132 C 8.35 4.23 0.00 3.29 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.09 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.73 3.65 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.92 0.00 0.00 135 L 8.02 3.91 0.00 1.89 1.73 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 136 R 7.98 4.02 0.00 2.08 2.19 0.00 3.11 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 137 G 8.26 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.08 4.18 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.04 4.05 0.00 1.85 1.95 1.07 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.15 4.02 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 141 M 7.73 4.22 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.84 0.00 142 V 7.55 4.45 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.13 0.00 0.00 143 Q 7.74 3.31 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 144 M 7.89 4.80 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.73 0.00 145 A 8.42 4.24 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.14 4.80 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.98 0.00 0.00 147 E 9.07 4.71 0.00 1.93 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 148 A 8.89 5.71 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.19 4.71 0.00 1.84 1.87 0.00 1.52 0.00 0.00 1.96 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.46 7.81 150 F 9.12 4.68 0.00 2.91 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 9.08 4.39 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.97 0.00 0.00 152 Q 7.90 4.87 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 153 D 10.61 4.86 0.00 2.93 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 9.31 4.04 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 155 L 8.22 4.08 0.00 1.98 1.71 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.20 4.44 0.00 1.84 1.80 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.24 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.34 7.81 157 G 8.19 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 D 8.14 4.47 0.00 2.89 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 G 8.73 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.21 4.52 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.93 0.00 0.00 161 T 8.46 4.67 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 162 E 9.55 5.06 0.00 2.05 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 163 I 8.17 4.54 1.56 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.11 0.63 0.00 0.00 164 R 8.82 4.37 0.00 1.81 1.69 0.00 3.14 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 165 M 8.91 4.75 0.00 1.15 0.57 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 166 R 8.66 4.78 0.00 1.76 1.66 0.00 3.07 0.00 0.00 3.05 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 167 F 8.93 4.01 0.00 1.51 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 I 7.89 4.09 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.69 0.80 0.00 0.00 169 R 6.19 4.42 0.00 1.86 1.95 0.00 2.93 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.33 0.00 170 R 8.75 4.85 0.00 1.62 1.75 0.00 3.23 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.23 0.00 171 I 8.27 4.50 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.02 0.92 0.00 0.00 172 E 8.78 4.25 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 *173 D 8.38 4.44 0.00 2.44 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.